4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide

C16H21ClN4O3 — CID 74232564

IUPAC4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide
SMILESCc1ccc(C(CNC(=O)c2nn(C)cc2Cl)N2CCOCC2)o1
InChIInChI=1S/C16H21ClN4O3/c1-11-3-4-14(24-11)13(21-5-7-23-8-6-21)9-18-16(22)15-12(17)10-20(2)19-15/h3-4,10,13H,5-9H2,1-2H3,(H,18,22)
InChIKeyREHUZQLMBWYYEC-UHFFFAOYSA-N
MW352.82 g/mol
LogP1.78
Rot. Bonds5

About 4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide

4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide (PubChem CID 74232564) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide
PubChem CID74232564
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC Name4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide
SMILESCc1ccc(C(CNC(=O)c2nn(C)cc2Cl)N2CCOCC2)o1
InChIInChI=1S/C16H21ClN4O3/c1-11-3-4-14(24-11)13(21-5-7-23-8-6-21)9-18-16(22)15-12(17)10-20(2)19-15/h3-4,10,13H,5-9H2,1-2H3,(H,18,22)
InChIKeyREHUZQLMBWYYEC-UHFFFAOYSA-N
XLogP1.78
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168876
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 134039015
3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 24643835
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30544005
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74233266
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 97123755
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide (CID 74232564) is 4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide is Cc1ccc(C(CNC(=O)c2nn(C)cc2Cl)N2CCOCC2)o1.
What is the InChIKey of 4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide?
The InChIKey is REHUZQLMBWYYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3/c1-11-3-4-14(24-11)13(21-5-7-23-8-6-21)9-18-16(22)15-12(17)10-20(2)19-15/h3-4,10,13H,5-9H2,1-2H3,(H,18,22).
What are the key properties of 4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide?
4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 74232564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).